M8K

4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide

Created:	2019-10-04
Last modified:	2019-11-06

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1 entries where M8K is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	16

2D diagram of M8K

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Chemical Component Summary
Name	4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide
Systematic Name (OpenEye OEToolkits)	4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide
Formula	C₂₁ H₂₁ N₅ O
Molecular Weight	359.424
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C(Nc1ccc2[nH]c(CN3CCCCC3)nc2c1)c4ccc(cc4)C#N
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C#N)C(=O)Nc2ccc3c(c2)nc([nH]3)CN4CCCCC4
Canonical SMILES	CACTVS	3.385	O=C(Nc1ccc2[nH]c(CN3CCCCC3)nc2c1)c4ccc(cc4)C#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C#N)C(=O)Nc2ccc3c(c2)nc([nH]3)CN4CCCCC4
InChI	InChI	1.03	InChI=1S/C21H21N5O/c22-13-15-4-6-16(7-5-15)21(27)23-17-8-9-18-19(12-17)25-20(24-18)14-26-10-2-1-3-11-26/h4-9,12H,1-3,10-11,14H2,(H,23,27)(H,24,25)
InChIKey	InChI	1.03	PYUJNKLBJTZGDT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	139592539
ChEMBL	CHEMBL4287247

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